SCHEMBL30911550

SCHEMBL30911550

C[C@H](CCO)Nc1cc(Cl)ncc1I

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
ADRA2A P08913 2/20 0.34
CHRM1 P11229 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
CHRM3 P20309 2/20 0.34
KCNH2 Q12809 2/20 0.34
TMEM97 Q5BJF2 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
ACE2 Q9BYF1 2/20 0.34
LMNA P02545 1/20 0.34
ADRA1D P25100 1/20 0.34
CGAS Q8N884 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
BCL6 P41182 2/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
P2RX3 P56373 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31002370 1.00 CHRM2 (0.34) CHRM2CHRM4CHRM5ADRA2ACHRM1
SCHEMBL30911776 0.83 TDP1 (0.36) CHRM2CHRM4CHRM5ADRA2ACHRM1
SCHEMBL15110157 0.79 KAT2B (0.37) TDP1NR4A2
SCHEMBL30627275 0.79 KAT2B (0.37) TDP1NR4A2
SCHEMBL31160329 0.77 LMNA (0.36) LMNABCL6TRPM8PDE3APDE3B
SCHEMBL31002404 0.75 TRPM8 (0.35) CHRM2CHRM4CHRM5ADRA2ACHRM1
SCHEMBL30911459 0.75 CDK1 (0.31)
SCHEMBL21680693 0.75 SCN9A (0.35)
SCHEMBL21680695 0.75 SCN9A (0.35)
SCHEMBL30669758 0.75 SCN9A (0.35)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117980297-A Substituted aminopyridine compounds as EGFR inhibitors 柳韩洋行 2024-05-03 CN disclosed